SCHEMBL4573288

SCHEMBL4573288

O=S(=O)(NC1CCNCC1)c1c[c]ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BRD4 O60885 3/20 0.40
BRD2 P25440 2/20 0.40
BRD3 Q15059 2/20 0.40
CCR8 P51685 1/20 0.40
WNT3 P56703 1/20 0.40
SFRP1 Q8N474 1/20 0.40
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5AP P20292 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4573733 0.92 ALDH1A1 (0.43) ALDH1A1L3MBTL1BRD4BRD2BRD3
SCHEMBL15018957 0.90 ALDH1A1 (0.54) ALDH1A1L3MBTL1BRD4GAAHPGD
SCHEMBL15698678 0.83 WNT3 (0.43) ALDH1A1L3MBTL1BRD4BRD2BRD3
SCHEMBL4573350 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1KMT2AMCOLN3HTR1A
SCHEMBL15698601 0.76 ALOX5AP (0.42) BRD4BRD2BRD3WNT3SFRP1
SCHEMBL4735500 0.74 ALDH1A1 (0.57) ALDH1A1L3MBTL1BRD4BRD2BRD3
SCHEMBL4735785 0.74 HDAC8 (0.52) ALDH1A1L3MBTL1BRD4BRD2BRD3
SCHEMBL4573343 0.74 STS (0.53) ALDH1A1L3MBTL1BRD4CCR8SFRP1
SCHEMBL15019098 0.73 BRD4 (0.47) ALDH1A1L3MBTL1BRD4BRD2BRD3
SCHEMBL4734321 0.72 SFRP1 (0.51) ALDH1A1L3MBTL1BRD4BRD2BRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP ALDH1A1 1142/4885L3MBTL1 2661/4885BRD4 1829/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.